Platinum nanoclusters on graphite substrates: a molecular dynamics study Academic Article

abstract

• Molecular dynamics simulations are used to investigate the shape and structure evolution of single platinum clusters of cubic and spherical shape containing 256 and 260 atoms, respectively, deposited on a static graphite substrate. The evolution is monitored at variable temperature, and as a function of metal-substrate interactions at constant temperature. The Pt-Pt interactions are modelled with the many-body Sutton-Chen potential, whereas a Lennard-Jones potential is used to describe the Pt-C interactions. Heating and cooling curves calculated between 200 K and 1800 K are used to determine solid-solid and solid liquid transitions. Structural changes are detected through analyses of density profiles and diffusion coefficients. A clear analogy is observed between temperature-induced wetting phenomena and those resulting from enhancement of the metal-substrate interactions.

authors

• Balbuena, Perla

published proceedings

• Molecular Physics

author list (cited authors)

• PING, S., & BALBUENA, P. B.

citation count

• 52

complete list of authors

• PING, SHI-PING||BALBUENA, PERLA B

publication date

• July 2002

publisher

• Taylor & Francis  Publisher

published in

• Molecular Physics: An International Journal at the Interface Between Chemistry and Physics  Journal

keywords

• 34 Chemical Sciences
• 3403 Macromolecular And Materials Chemistry

Digital Object Identifier (DOI)

• 10.1080/0026897021012127

start page

• 2165

end page

• 2174

volume

• 100

issue

• 13

URL

• http://dx.doi.org/10.1080/0026897021012127